ICSD for WWW

Details of the selected entries


1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=92792 Help
TitleTemperature-dependent neutron powder diffraction study of the Ba (O D)2 polymorphs: a new low-temperature phase.
AuthorsFriedrich, A.;Kunz, M.;Suard, E.
ReferenceIC&volume=57&fpage=747&details=yes target=icsd_help>Acta Crystallographica B (2001) 57, 747-758
Link XRef SCOPUS Google
CompoundD2 Ba1 O2 - Barium dideuteriooxide - alpha-m [AX2] [mP100] [e25] []
Cell7.0825(2), 10.8701(3), 16.4349(4), 90, 91.333(2), 90
P121/N1 (14) V=1264.94
RemarksR=0.021000 : T N

Atom (site) Oxid. x, y, z, B, Occupancy
Ba1(4e)2
Ba2(4e)2
Ba3(4e)2
Ba4(4e)2
Ba5(4e)2
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
O6(4e)-2
O7(4e)-2
O8(4e)-2
O9(4e)-2
O10(4e)-2
D1(4e)1
D2(4e)1
D3(4e)1
D4(4e)1
D5(4e)1
D6(4e)1
D7(4e)1
D8(4e)1
D9(4e)1
D10(4e)1
0.430.320.240.001
0.900.470.370.001
0.420.010.620.001
0.430.320.480.001
0.920.170.500.001
0.370.070.240.001.00
0.810.320.240.001.00
0.500.500.350.001.00
0.030.000.630.001.00
0.150.290.370.001.00
0.660.200.610.001.00
0.650.220.390.001.00
0.160.280.600.001.00
0.290.050.470.001.00
0.790.440.520.001.00
0.250.060.220.021
0.940.280.250.021
0.540.580.330.021
0.010.930.660.021
0.180.200.350.021
0.650.280.630.021
0.730.240.340.011
0.230.250.650.021
0.210.040.420.021
0.720.440.570.021

Demo database
Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database is copyright © 2018 by Fachinformationszentrum (FIZ) Karlsruhe
The PHP-mySQL WWW interface is copyright © 2003-2015 by Peter Hewat
The 3D crystal structure visualisation software, xtal-3d is copyright © 1994-2015 by Marcus Hewat
The PHP-JMOL drawing software is copyright © 2006-2015 by Alan Hewat
Please report technical problems with ICSD for WWW to alan.hewat[a]neutronoptics.com (Alan Hewat).